CC(C)C[C@H](C(=O)N1CCN(c2noc(-c3ccccc3)n2)CC1)[C@H]1OC(C)(C)OC1=O
SMILES: CC(C)C[C@H](C(=O)N1CCN(c2noc(-c3ccccc3)n2)CC1)[C@H]1OC(C)(C)OC1=O

Molecular Processing

Molecular formula
C23H30N4O5
Molecular weight
442.52
Exact mass
442.2216
XLogP
2.73
TPSA
98
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
116.52

Supplementary Information

Details werden geladen…

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